MolNFT v1 · #72377 · protein
Crystal structure of EV71 rdrp in complex with br-UTP
3N6N · RNA-dependent RNA polymerase: “Crystal structure of EV71 rdrp in complex with br-UTP”. X-ray diffraction, 2 ligands (BUP, NI), 4 pockets (best druggability 0.70). MolNFT v1 #72377 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3N6N
- Type
- protein
- Length
- 462 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA-dependent RNA polymerase
- UniProt
- D3K0N8
- Ligands
- BUP, NI
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA-dependent RNA polymerase | protein | 462 | 42% helix, 16% strand | D3K0N8 |
Ligands and binding sites
- BUP · 5-bromouridine 5'-(tetrahydrogen triphosphate) · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.70 | 0.83 | 47 | empty |
| 2 | 410 | 0.59 | 0.75 | 39 | BUP |
| 3 | 200 | 0.56 | 0.79 | 21 | empty |
| 4 | 137 | 0.37 | 0.72 | 20 | empty |
Compared structures
- 3N6N · crystal structure of EV71 RdRp in complex with Br-UTP · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt D3K0N8
- Elsewhere: RCSB PDB 3N6N · PDBe 3N6N · UniProt D3K0N8
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